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C20H22N4OS | Cheminformatics

N-[(E)-(3-benzyl-1,3-benzothiazol-2-ylidene)amino]piperidine-4-carboxamide

Molecular Formula : C20H22N4OS | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |

MolName : N-[(E)-(3-benzyl-1,3-benzothiazol-2-ylidene)amino]piperidine-4-carboxamide

MolecularFormula : C20H22N4OS

Smiles : O=C(C1CCNCC1)N/N=C1/Sc(cccc2)c2N1Cc1ccccc1

InChI : InChI=1S/C20H22N4OS/c25-19(16-10-12-21-13-11-16)22-23-20-24(14-15-6-2-1-3-7-15)17-8-4-5-9-18(17)26-20/h1-9,16,21H,10-14H2,(H,22,25)

InChIK : CEJIJOVZNMAICW-UHFFFAOYSA-N

TotalMolweight : 366.488

Molweight : 366.488

MonoisotopicMass : 366.151431

CLogP : 2.6425

CLogS : -5.228

H Acceptors : 5

H Donors : 2

TotalSurfaceArea : 278.75

Relative PSA : 0.24578

PolarSurfaceArea : 82.03

Druglikeness : 5.8718

Mutagenic : high

Tumorigenic : none

Reproductive Effective : none

Irritant : low

Nasty Functions : acyl-hydrazone

Shape Index : 0.53846

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

Symmetricatoms : 4

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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